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| CAS No.: | 503-29-7 |
|---|---|
| Name: | Azetidine |
| Molecular Structure: | |
|
|
|
| Formula: | C3H7N |
| Molecular Weight: | 57.0953 |
| Synonyms: | 1,3-Propylenimine;Azacyclobutane;Azete, tetrahydro-;Trimethylenimine; |
| EINECS: | 207-963-8 |
| Density: | 0.851 g/cm3 |
| Melting Point: | -70°C |
| Boiling Point: | 64.9 °C at 760 mmHg |
| Flash Point: | ?5°F |
| Solubility: | miscible in water |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-34 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 2733 3/PG 2 |
| PSA: | 12.03000 |
| LogP: | 0.30850 |
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- 78797-58-7, 78797-59-8, 78797-62-3, 36520-39-5
azetidine hydrochloride
- 503-29-7
azetidine
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water at 20 - 95℃; for 3h; Inert atmosphere; | 89% |
| With sodium hydroxide In dichloromethane; water | |
| With sodium hydroxide In water at 20℃; for 1h; | |
| With potassium hydroxide In water | |
| With sodium hydroxide In water at 20℃; for 1h; | 18 g |
- 78797-58-7, 78797-59-8, 78797-62-3, 36520-39-5
azetidine hydrochloride
- 503-29-7
azetidine
| Conditions | Yield |
|---|---|
| In water at 90℃; | 85% |
- 107128-00-7
N-benzhydryl azetidine
- 503-29-7
azetidine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; potassium hydroxide; hydrogen; palladium on activated charcoal 1.) methanol, 60 deg C, 40 - 80 psi, 2 h, 2.) 100 deg C; | 83% |
- 503-29-7
azetidine
| Conditions | Yield |
|---|---|
| With sodium; ethylene glycol | 81% |
| Conditions | Yield |
|---|---|
| With triethylamine at 170℃; for 0.025h; microwave irradiation; | A n/a B 65% |
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In methanol other solvents; | A 50% B n/a |
| Conditions | Yield |
|---|---|
| Heating; | A 33% B 15% |
- 78064-88-7
3-<(Triphenylphosphoranylidene)amino>-1-propanol
- 503-29-7
azetidine
| Conditions | Yield |
|---|---|
| at 190℃; for 1.5h; | 29% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| With pentan-1-ol; sodium at 120℃; | |
| With ammonia; sodium |
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Specification
The Azetidine, with the CAS registry number 503-29-7 and EINECS registry number 207-963-8, is a heterocyclic organic compound. And the molecular formula of this chemical is C3H7N. It is a kind of clear colorless liquid, and belongs to the class of four membered rings and it contains a nitrogen atom. It is sensitive to moisture and air, and should be stored at 2-8°C with the shielding gas argon.
The physical properties of Azetidine are as following: (1)ACD/LogP: -0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.3; (4)ACD/LogD (pH 7.4): -3.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 17.18 cm3; (15)Molar Volume: 67 cm3; (16)Polarizability: 6.81×10-24cm3; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 0.851 g/cm3; (19)Enthalpy of Vaporization: 30.69 kJ/mol; (20)Boiling Point: 64.9 °C at 760 mmHg; (21)Vapour Pressure: 162 mmHg at 25°C.
Uses of Azetidine: It can react with bis-(3-amino-propyl)-amine to produce N,N'-bis-(3-amino-propyl)-propanediyldiamine. This reaction will need catalyst palladium black. The reaction time is 12 hours with temperature of 120°C, and the yield is about 75%.
You should be cautious while dealing with this chemical. It is a kind of highly flammale chemical which may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: N1CCC1
(2)InChI: InChI=1/C3H7N/c1-2-4-3-1/h4H,1-3H2
(3)InChIKey: HONIICLYMWZJFZ-UHFFFAOYAE